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Fluorine in PDB 5sod: Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163:
2.3.1.179;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163, PDB code: 5sod was solved by R.Brenk, C.Georgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 84.21 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.563, 65.157, 84.377, 90, 93.55, 90
R / Rfree (%) 17 / 20.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163 (pdb code 5sod). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163, PDB code: 5sod:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5sod

Go back to Fluorine Binding Sites List in 5sod
Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:24.6
occ:0.78
 F A:Q7X501 0.0 24.6 0.8
C9 A:Q7X501 1.3 21.1 0.8
C8 A:Q7X501 2.3 21.0 0.8
C10 A:Q7X501 2.4 19.1 0.8
O1 A:Q7X501 2.7 19.4 0.8
CG A:LYS66 2.7 22.3 0.8
NZ A:LYS66 3.0 25.4 0.8
CD A:LYS66 3.4 24.4 0.8
C7 A:Q7X501 3.5 20.5 0.8
C5 A:Q7X501 3.6 18.3 0.8
CE A:LYS66 3.8 24.2 0.8
CB A:LYS66 3.8 20.8 0.8
C6 A:Q7X501 4.0 18.9 0.8
C A:LYS66 4.1 17.9 0.8
C1 A:Q7X501 4.1 19.5 0.8
N A:GLU67 4.1 17.1 0.8
O A:HOH796 4.3 43.0 0.8
O A:LYS66 4.3 19.1 0.8
CA A:LYS66 4.5 19.0 0.8
CA A:GLU67 4.6 16.0 0.8
N A:Q7X501 4.8 17.0 0.8
C A:Q7X501 4.8 18.8 0.8
C2 A:Q7X501 4.9 17.9 0.8
CB A:GLU67 4.9 15.2 0.8

Fluorine binding site 2 out of 2 in 5sod

Go back to Fluorine Binding Sites List in 5sod
Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z1730522163 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:29.1
occ:0.68
 F A:Q7X502 0.0 29.1 0.7
C9 A:Q7X502 1.3 28.1 0.7
C10 A:Q7X502 2.3 28.8 0.7
C8 A:Q7X502 2.4 27.7 0.7
O1 A:Q7X502 2.6 27.7 0.7
CA A:GLN84 3.1 10.7 1.0
O A:PHE83 3.5 10.3 1.0
CB A:ARG87 3.5 15.8 0.7
CD A:ARG87 3.5 18.2 0.7
N A:GLN84 3.6 10.1 1.0
C5 A:Q7X502 3.6 29.6 0.7
C7 A:Q7X502 3.6 28.7 0.7
C A:PHE83 3.7 9.6 1.0
NE A:ARG87 3.7 20.1 0.7
CG A:GLN84 3.9 11.3 1.0
C1 A:Q7X502 3.9 29.3 0.7
CB A:GLN84 4.0 11.0 1.0
CZ A:ARG87 4.0 20.4 0.7
O A:GLN84 4.1 11.6 1.0
C A:GLN84 4.1 10.6 1.0
NH2 A:ARG87 4.1 20.5 0.7
CG A:ARG87 4.1 16.9 0.7
C6 A:Q7X502 4.1 29.0 0.7
O A:HOH793 4.6 25.2 0.7
N A:Q7X502 4.7 31.1 0.7
C A:Q7X502 4.7 28.7 0.7
CE1 A:TYR62 4.8 13.2 1.0
CA A:ARG87 4.8 14.3 0.7
NH1 A:ARG87 4.8 21.8 0.7
CB A:PHE83 4.9 10.1 1.0
C2 A:Q7X502 4.9 29.9 0.7
CA A:PHE83 4.9 9.8 1.0

Reference:

R.Brenk, C.Georgiou. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:43:29 2024

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